PCIDB

KNApSAcK Metabolite C00042201

Metabolite

KNApSAcK Entry

id C00042201
Name Acutanguloside F methyl ester / (-)-Acutanguloside F methyl ester
CAS RN 849637-47-4
Standard InChI InChI=1S/C58H90O22/c1-13-26(3)47(69)79-45-46(80-48(70)27(4)14-2)58(25-60)29(21-53(45,5)6)28-15-16-33-55(9)19-18-35(54(7,8)32(55)17-20-56(33,10)57(28,11)22-34(58)62)75-52-44(78-51-40(67)38(65)37(64)31(23-59)74-51)42(41(68)43(77-52)49(71)72-12)76-50-39(66)36(63)30(61)24-73-50/h13-15,29-46,50-52,59-68H,16-25H2,1-12H3/b26-13-,27-14-/t29-,30+,31+,32-,33+,34+,35-,36-,37-,38-,39+,40+,41-,42-,43-,44+,45-,46-,50-,51-,52+,55-,56+,57+,58-/m0/s1
Standard InChI (Main Layer) InChI=1S/C58H90O22/c1-13-26(3)47(69)79-45-46(80-48(70)27(4)14-2)58(25-60)29(21-53(45,5)6)28-15-16-33-55(9)19-18-35(54(7,8)32(55)17-20-56(33,10)57(28,11)22-34(58)62)75-52-44(78-51-40(67)38(65)37(64)31(23-59)74-51)42(41(68)43(77-52)49(71)72-12)76-50-39(66)36(63)30(61)24-73-50/h13-15,29-46,50-52,59-68H,16-25H2,1-12H3

Cluster

Phytochemical cluster No. 51
KCF-S cluster No. 4

Link

ChEMBL

By standard InChI
By standard InChI Main Layer

KEGG

By LinkDB

CTD

By CAS RN

Species

Summary

Plant class

class name count
asterids 1

Family

family name count

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Barringtonia acutangula 1090620 asterids Viridiplantae